SCHEMBL5131835

SCHEMBL5131835

COC(=O)c1cc([N+](=O)[O-])ccc1-c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.57
SLC6A4 P31645 1/20 0.57
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
NPC1 O15118 3/20 0.47
KCNMA1 Q12791 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 3/20 0.47
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2723711 0.89 SLC6A3 (0.57) SLC6A3SLC6A4MEN1KMT2ANPC1
SCHEMBL6804809 0.88 CYP46A1 (0.55) SLC6A3CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1989351 0.86 SLC6A3 (0.56) SLC6A3CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL15229768 0.86 MYC (0.55) SLC6A3SLC6A4CYP1A2CYP2D6CYP2C9
SCHEMBL9068677 0.85 ALDH1A1 (0.54) SLC6A3KDM4EMEN1KMT2ANPC1
SCHEMBL3824237 0.83 EIF4E (0.53) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL3824233 0.83 EIF4E (0.53) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL6649874 0.82 KCNMA1 (0.55) MEN1KMT2ANPC1KCNMA1ALDH1A1
SCHEMBL21050100 0.81 MEN1 (0.52) SLC6A3CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30180157 0.81 MEN1 (0.52) SLC6A3CYP1A2CYP2D6CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188460-A1 Tricyclic compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2008-08-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080188460-A1 Tricyclic compounds, a process for their preparation and pharmaceutical compositions containing them BAX, BCL2, CASP3 SLC6A3 4841/4885SLC6A4 4673/4885CYP1A2 43/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.